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. 2020 Oct 2;142(41):17721–17729. doi: 10.1021/jacs.0c08589

Figure 4.

Figure 4

(a) Structural formula of CF3-substituted BODIPY 4. (b) UV–vis absorption spectra of free 4 in MeCN (gray), aggregated 4 in a 49:1 water/MeCN mixture (blue), and 42⊂1 in water (pink). (Inset) Photographs of aqueous solution of 42⊂1 (left) and aqueous suspension of 4 (right). (c) Crystal structure of 42⊂1. (d) Top view (top) and side view (bottom) of the packing motif of 4 within the crystal of the 42⊂1 inclusion complex (cage 1 is omitted for clarity). (e) Top view (top) and side view (bottom) of the packing motif within the crystal of 4.4 Van der Waals radii were included around the CF3 groups to emphasize the antiparallel (d) and parallel (e) arrangement of 4. (f) Summary of the slip angles for free and encapsulated BODIPYs 2–4. Dashed line denotes the transition between the H- and the J-aggregates at slip angle = 54.7°. (g) Summary of the plane-to-plane distances for free and encapsulated BODIPYs 2–4.